2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol

C21H27N5O — CID 89431859

IUPAC2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cccc2c1ccn2-c1ccnc(NC2CCC(N)CC2)n1
InChIInChI=1S/C21H27N5O/c1-21(2,27)17-4-3-5-18-16(17)11-13-26(18)19-10-12-23-20(25-19)24-15-8-6-14(22)7-9-15/h3-5,10-15,27H,6-9,22H2,1-2H3,(H,23,24,25)
InChIKeyLSKRSCNYFFEOIZ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.33
Rot. Bonds4

About 2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol

2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol (PubChem CID 89431859) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol
PubChem CID89431859
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cccc2c1ccn2-c1ccnc(NC2CCC(N)CC2)n1
InChIInChI=1S/C21H27N5O/c1-21(2,27)17-4-3-5-18-16(17)11-13-26(18)19-10-12-23-20(25-19)24-15-8-6-14(22)7-9-15/h3-5,10-15,27H,6-9,22H2,1-2H3,(H,23,24,25)
InChIKeyLSKRSCNYFFEOIZ-UHFFFAOYSA-N
XLogP3.33
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol (CID 89431859) is 2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol is CC(C)(O)c1cccc2c1ccn2-c1ccnc(NC2CCC(N)CC2)n1.
What is the InChIKey of 2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol?
The InChIKey is LSKRSCNYFFEOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-21(2,27)17-4-3-5-18-16(17)11-13-26(18)19-10-12-23-20(25-19)24-15-8-6-14(22)7-9-15/h3-5,10-15,27H,6-9,22H2,1-2H3,(H,23,24,25).
What are the key properties of 2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol?
2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol has a molecular weight of 365.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]indol-4-yl]propan-2-ol is sourced from PubChem (CID 89431859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).